3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole

C22H27N3O2S — CID 66853251

IUPAC3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCC(C)c1ccc(S(=O)(=O)n2cc(CN3CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O2S/c1-17(2)18-7-9-20(10-8-18)28(26,27)25-16-19(15-24-13-11-23-12-14-24)21-5-3-4-6-22(21)25/h3-10,16-17,23H,11-15H2,1-2H3
InChIKeyFUCQSWSLDAQWAZ-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.41
Rot. Bonds5

About 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole

3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole (PubChem CID 66853251) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole
PubChem CID66853251
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCC(C)c1ccc(S(=O)(=O)n2cc(CN3CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O2S/c1-17(2)18-7-9-20(10-8-18)28(26,27)25-16-19(15-24-13-11-23-12-14-24)21-5-3-4-6-22(21)25/h3-10,16-17,23H,11-15H2,1-2H3
InChIKeyFUCQSWSLDAQWAZ-UHFFFAOYSA-N
XLogP3.41
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole;hydrochloride
CID 175183696
1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole
CID 66852331
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindol-5-ol
CID 142780064
3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole
CID 69183118
1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol
CID 22091407
6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944140
benzyl 2-[4-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]piperazin-1-yl]acetate
CID 175364963
(2R)-2-(4-methylpiperazin-1-yl)-2-[1-(4-propan-2-ylphenyl)sulfonylindol-3-yl]acetonitrile
CID 66852277
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
CID 68544798
4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline
CID 23757270

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The IUPAC name of 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole (CID 66853251) is 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole is CC(C)c1ccc(S(=O)(=O)n2cc(CN3CCNCC3)c3ccccc32)cc1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The InChIKey is FUCQSWSLDAQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-17(2)18-7-9-20(10-8-18)28(26,27)25-16-19(15-24-13-11-23-12-14-24)21-5-3-4-6-22(21)25/h3-10,16-17,23H,11-15H2,1-2H3.
What are the key properties of 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole?
3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole has a molecular weight of 397.54 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole is sourced from PubChem (CID 66853251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).